The design principle of iron-based catalysts for fischer-tropsch synthesis: from theory to practice

Fischer-Tropsch process coverts syngas (CO and H2 which can be derived from nature gas, coal and biomass, etc.) into clean liquid fuels and high valuable chemicals. In China, the so-called Coal to Liquid (CTL) via Fischer-Tropsch synthesis (FTS) is not only to achieve the clean/efficient usage of coal, but also to alleviate China’s excessive dependence on oil imports with important strategic significance to national security. We have been performing systematical studies on FTS for more than 20 years across from the fundamental research to R&D to industrial practice. The FTS in two 160000 ton/year demo plants has passed the long-term operation and technical verification (more than 8 years), and achieved a remarkable successful application of the world’s largest single-set of Coal-to-Oil industrial plant in Shenhua Ningmei with a production capacity of 4 million ton/year. The archives in industrial applications benefit from our solid fundamental studies. In the article, the corresponding fundamental researches on FTS will be focused. The rational design of Fe-based catalysts for FTS will be presented via combining experimental and theoretical insights. In details, starting with theoretical studies, the quantum mechanics approach is extensively used to study the active phases of Fe-based catalyst for FTS (across from detailed benchmarks on method to predication on morphology/surface to design new generation Fe-based industrial catalysts), as well as FT reaction mechanism. The purpose of theoretical study is to provide theoretical insights for experimental designs, and to further guide the development of new generation FTS catalysts. Finally, the new generation Fe-based catalysts are designed rationally from theoretical prediction to experiment confirmation. In the meantime, the new challenge on designing Fe-based catalysts will be discussed.